tert-butyl 3-[[1-(3,3-dimethylbutanoyl)-7-methyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate

Systemtic Name: tert-butyl 3-[[1-(3,3-dimethylbutanoyl)-7-methyl-4-oxidanylidene-5-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Openeye Name: tert-butyl 3-[[1-(3,3-dimethylbutanoyl)-7-methyl-4-oxo-5-[2-oxo-2-(2-thienyl)ethyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate CAS Name: 3-[[[[1-(3,3-dimethyl-1-oxobutyl)-7-methyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(3,3-dimethylbutanoyl)-7-methyl-4-oxo-5-(2-oxo-2-thiophen-2-ylethyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate Traditional Name: 3-[[1-(3,3-dimethylbutanoyl)-4-keto-5-[2-keto-2-(2-thienyl)ethyl]-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid tert-butyl ester Formula: C34H40N4O6S MolecularWeight: 632.7696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CS3)NC(=O)NC4=CC=CC(=C4)C(=O)OC(C)(C)C)C(=O)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C3=CC=CS3)NC(=O)NC4=CC=CC(=C4)C(=O)OC(C)(C)C)C(=O)CC(C)(C)C

InChI

InChI=1S/C34H40N4O6S/c1-21-13-14-25-26(16-21)38(20-27(39)28-12-9-15-45-28)30(41)24(19-37(25)29(40)18-33(2,3)4)36-32(43)35-23-11-8-10-22(17-23)31(42)44-34(5,6)7/h8-17,24H,18-20H2,1-7H3,(H2,35,36,43)